tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one

C118H104N24O15S4 — CID 162038574

IUPACtetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cscn4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(N4CCCC(C(=O)O)C4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H27N5O3.C23H20N4OS.3C22H19N5OS.4CO2/c1-16(2)29-12-10-26-23(29)21-6-3-7-22(27-21)30-15-17-8-9-19(13-20(17)24(30)31)28-11-4-5-18(14-28)25(32)33;1-15(2)26-11-10-24-22(26)19-5-3-7-21(25-19)27-14-17-9-8-16(13-18(17)23(27)28)20-6-4-12-29-20;2*1-14(2)26-10-8-23-20(26)18-4-3-5-19(25-18)27-13-16-7-6-15(12-17(16)22(27)28)21-24-9-11-29-21;1-14(2)26-9-8-23-21(26)18-4-3-5-20(25-18)27-11-16-7-6-15(10-17(16)22(27)28)19-12-29-13-24-19;4*2-1-3/h3,6-10,12-13,16,18H,4-5,11,14-15H2,1-2H3,(H,32,33);3-13,15H,14H2,1-2H3;2*3-12,14H,13H2,1-2H3;3-10,12-14H,11H2,1-2H3;;;;
InChIKeyYWYVEVZEUSQOQK-UHFFFAOYSA-N
MW2226.55 g/mol
LogP21.50
Rot. Bonds21

About tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one

tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one (PubChem CID 162038574) has the molecular formula C118H104N24O15S4 and a molecular weight of 2226.55 g/mol. Its IUPAC name is tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Nametetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one
PubChem CID162038574
Molecular FormulaC118H104N24O15S4
Molecular Weight2226.55 g/mol
Exact Mass2224.70
IUPAC Nametetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cscn4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(N4CCCC(C(=O)O)C4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H27N5O3.C23H20N4OS.3C22H19N5OS.4CO2/c1-16(2)29-12-10-26-23(29)21-6-3-7-22(27-21)30-15-17-8-9-19(13-20(17)24(30)31)28-11-4-5-18(14-28)25(32)33;1-15(2)26-11-10-24-22(26)19-5-3-7-21(25-19)27-14-17-9-8-16(13-18(17)23(27)28)20-6-4-12-29-20;2*1-14(2)26-10-8-23-20(26)18-4-3-5-19(25-18)27-13-16-7-6-15(12-17(16)22(27)28)21-24-9-11-29-21;1-14(2)26-9-8-23-21(26)18-4-3-5-20(25-18)27-11-16-7-6-15(10-17(16)22(27)28)19-12-29-13-24-19;4*2-1-3/h3,6-10,12-13,16,18H,4-5,11,14-15H2,1-2H3,(H,32,33);3-13,15H,14H2,1-2H3;2*3-12,14H,13H2,1-2H3;3-10,12-14H,11H2,1-2H3;;;;
InChIKeyYWYVEVZEUSQOQK-UHFFFAOYSA-N
XLogP21.50
TPSA470.87 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.55
LogP ≤ 521.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one with MolForge

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Related Compounds

N-[6-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(3-methylphenyl)carbamoyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide;N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 158042459
3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 158486119
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-(3-imidazol-1-ylpropyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2-piperidin-1-ylethyl)benzamide;N-[6-[4-(5-imidazol-1-ylpentanoyl)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[3-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 161370814
1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone;1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;N-methyl-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;1-[3-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone;1-[3-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
CID 123851420
CID 157117262
CID 157117262
CID 157136927
CID 157136927
6-[2-[4-(5-Hydroxypentyl)piperazin-1-yl]-1,3-thiazol-4-yl]-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-[2-[4-(5-hydroxypentyl)piperazin-1-yl]-1,3-thiazol-4-yl]-4,4-dimethyl-2,3-dihydronaphthalen-1-one;4-[[1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]butan-1-ol;4-[[1-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-4-yl]amino]butan-1-ol;5-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]pentan-1-ol
CID 157384524
tris(carbon dioxide);bis(6-cyclopentyl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one);2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperidin-1-yl)-3H-isoindol-1-one;1-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]piperidine-3-carboxylic acid;methyl 2-[4-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate
CID 157393735
4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-4-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 157738929
17-Anthracen-9-yl-6,7-dipyridin-2-yl-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;17-naphthalen-2-yl-6,7-dithiophen-2-yl-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;17-phenyl-6,7-bis(1-phenylbenzimidazol-2-yl)-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione;6,7,17-tris(1-phenylbenzimidazol-2-yl)-3,5,8,10,17-pentazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
CID 157878097
4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;5-propan-2-yl-1,3-dihydroindol-2-one;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 157959681
benzene;2,5-bis(2-decyltetradecyl)-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[5-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[4-(5-methylthiophen-2-yl)phenyl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione;ethane;[3-(imidazo[4,5-b]pyridine-3-carbonyl)-2-benzothiophen-1-yl]-imidazo[4,5-b]pyridin-3-ylmethanone;4-(4-methylphenyl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione;29-thia-3,8,10,17,19,24-hexazaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2,4(9),5,7,12,14,18(23),19,21,24,26-dodecaene-11,16-dione;bis(29-thia-3,8,10,17,22,24-hexazaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.016,24.018,23]nonacosa-1(28),2,4(9),5,7,12,14,16,18(23),19,21,26-dodecaene-11,25-dione)
CID 158365654

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one?
The IUPAC name of tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one (CID 162038574) is tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one.
What is the SMILES notation for tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one?
The canonical SMILES for tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one is CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cscn4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4nccs4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(N4CCCC(C(=O)O)C4)cc3C2=O)n1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one?
The InChIKey is YWYVEVZEUSQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C23H20N4OS.3C22H19N5OS.4CO2/c1-16(2)29-12-10-26-23(29)21-6-3-7-22(27-21)30-15-17-8-9-19(13-20(17)24(30)31)28-11-4-5-18(14-28)25(32)33;1-15(2)26-11-10-24-22(26)19-5-3-7-21(25-19)27-14-17-9-8-16(13-18(17)23(27)28)20-6-4-12-29-20;2*1-14(2)26-10-8-23-20(26)18-4-3-5-19(25-18)27-13-16-7-6-15(12-17(16)22(27)28)21-24-9-11-29-21;1-14(2)26-9-8-23-21(26)18-4-3-5-20(25-18)27-11-16-7-6-15(10-17(16)22(27)28)19-12-29-13-24-19;4*2-1-3/h3,6-10,12-13,16,18H,4-5,11,14-15H2,1-2H3,(H,32,33);3-13,15H,14H2,1-2H3;2*3-12,14H,13H2,1-2H3;3-10,12-14H,11H2,1-2H3;;;;.
What are the key properties of tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one?
tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one has a molecular weight of 2226.55 g/mol, XLogP of 21.50, 21 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);1-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-3-carboxylic acid;bis(2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one);2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-4-yl)-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 162038574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).